(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C12H24N2 — CID 7175929

IUPAC(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCNC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-7-13-10-8-11-5-6-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3/t10?,11-,12+
InChIKeyUECDAJBNCHQEBU-YOGCLGLASA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds4

About (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 7175929) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID7175929
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCNC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C12H24N2/c1-3-4-7-13-10-8-11-5-6-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3/t10?,11-,12+
InChIKeyUECDAJBNCHQEBU-YOGCLGLASA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 7175929) is (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCCCNC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UECDAJBNCHQEBU-YOGCLGLASA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-7-13-10-8-11-5-6-12(9-10)14(11)2/h10-13H,3-9H2,1-2H3/t10?,11-,12+.
What are the key properties of (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-butyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 7175929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).